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Chemical ID: 7343850
Chemical ID:
7343850
Name [?]:
None
SMILES [?]:
Cc1c2cc(ccc2oc1c3cc(=O)oc4c3cc5c(c4)CCC5)F
InChi [?]:
InChI=1/C21H15FO3/c1-11-15-9-14(22)5-6-18(15)25-21(11)17-10-20(23)24-19-8-13-4-2-3-12(13)7-16(17)19/h5-10H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,6,7,18,21,4,12,2,19,20,5,3,17,11,8,16,13,10,25,14,15,9/rA:25nCCCCCCCCOCCCCOOCCCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s12;d13;s13;s15;s11s16;d17;s18;d19;d16s20;s20;s22;s19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15FO3 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04187 |
Area: | 503.74 |
Solvation: | -3.55165 |
Coulombic: | -30.0808 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 334.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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